290 citations · 3.3k across the 60 of their papers we have counts for
62 papers
Dual quantum locking: Dynamic coupling of hydrogen and water sublattices in hydrogen filled ice
Loan Renaud, Tomasz Poreba, Simone Di Cataldo +7
Hydrogen hydrates (HH) are a unique class of materials composed of hydrogen molecules confined within crystalline water frameworks. Among their multiple phases, the filled ice stru…
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
Kousuke Nakano, Oto Kohulák, Abhishek Raghav +2
TurboGenius is an open-source Python package designed to fully control ab initio quantum Monte Carlo (QMC) jobs using a Python script, which allows one to perform high-throughput c…
Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics
Romain Taureau, Marco Cherubini, Tommaso Morresi +1
We study the structural phase transition, originally associated with the highest superconducting critical temperature measured in high-pressure sulfur hydride. A quantitative…
Reciprocal space temperature-dependent phonons method from ab-initio dynamics
Ibrahim Buba Garba, Tommaso Morresi, Charles Bouillaguet +2
We present a robust reciprocal-space implementation of the temperature-dependent effective potential method. Our implementation can scale easily to large cell and long sampling tim…
Rényi entropy of quantum anharmonic chain at non-zero temperature
Miha Srdinšek, Michele Casula, Rodolphe Vuilleumier
The interplay of quantum and classical fluctuations in the vicinity of a quantum critical point (QCP) gives rise to various regimes or phases with distinct quantum character. In th…
Order from disorder phenomena in BaCoS
Benjamin Lenz, Michele Fabrizio, Michele Casula
At the layered insulator BaCoS transitions to a columnar antiferromagnet that signals non-negligible magnetic frustration despite the relatively high $…